run_supercells

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run_supercells#

autoplex.auto.phonons.jobs.run_supercells(structures, supercell_matrices, mp_ids, dft_maker=None)[source]#

Run supercell calculations.

Note, this job will replace itself with supercell calculations.

Parameters:

  • structures (list[Structure]) – List of supercells.

  • supercell_matrices (list[int]) – List of supercell matrices.

  • mp_ids (list[str]) – List of Materials Project IDs.

  • dft_maker (.BaseVaspMaker or .ForceFieldStaticMaker or .BaseAimsMaker) – Maker to use to generate dispacement calculations

Return type:

Response

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